N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide

C19H25ClN4O2 — CID 135111015

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C[C@@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H25ClN4O2/c1-13-8-17(23-22-13)9-15-10-24(11-18(15)25)12-19(26)21-7-6-14-2-4-16(20)5-3-14/h2-5,8,15,18,25H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t15-,18-/m1/s1
InChIKeyNUYGWAGFWRAJKD-CRAIPNDOSA-N
MW376.89 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 135111015) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID135111015
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C[C@@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H25ClN4O2/c1-13-8-17(23-22-13)9-15-10-24(11-18(15)25)12-19(26)21-7-6-14-2-4-16(20)5-3-14/h2-5,8,15,18,25H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t15-,18-/m1/s1
InChIKeyNUYGWAGFWRAJKD-CRAIPNDOSA-N
XLogP1.57
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
CID 135090397
(3R,4R)-1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134703504
N-[2-(4-chlorophenyl)ethyl]-2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide
CID 135102122
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 131905828
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
(3R,4R)-1-[(2-chloro-5-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135093035
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
tert-butyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 78903590
(2-chloro-5-fluorophenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710143
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide (CID 135111015) is N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide is Cc1cc(C[C@@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)C[C@H]2O)n[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is NUYGWAGFWRAJKD-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13-8-17(23-22-13)9-15-10-24(11-18(15)25)12-19(26)21-7-6-14-2-4-16(20)5-3-14/h2-5,8,15,18,25H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t15-,18-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 376.89 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 135111015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).